N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

C22H34N6O2 — CID 55742798

IUPACN-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESCN1CCN(c2cc(CNC(=O)C3CCN(C(=O)N4CCCC4)CC3)ccn2)CC1
InChIInChI=1S/C22H34N6O2/c1-25-12-14-26(15-13-25)20-16-18(4-7-23-20)17-24-21(29)19-5-10-28(11-6-19)22(30)27-8-2-3-9-27/h4,7,16,19H,2-3,5-6,8-15,17H2,1H3,(H,24,29)
InChIKeyRFNRYAHVYDTCSX-UHFFFAOYSA-N
MW414.55 g/mol
LogP1.38
Rot. Bonds4

About N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 55742798) has the molecular formula C22H34N6O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
PubChem CID55742798
Molecular FormulaC22H34N6O2
Molecular Weight414.55 g/mol
Exact Mass414.27
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESCN1CCN(c2cc(CNC(=O)C3CCN(C(=O)N4CCCC4)CC3)ccn2)CC1
InChIInChI=1S/C22H34N6O2/c1-25-12-14-26(15-13-25)20-16-18(4-7-23-20)17-24-21(29)19-5-10-28(11-6-19)22(30)27-8-2-3-9-27/h4,7,16,19H,2-3,5-6,8-15,17H2,1H3,(H,24,29)
InChIKeyRFNRYAHVYDTCSX-UHFFFAOYSA-N
XLogP1.38
TPSA72.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
(2S)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 94889865
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55745815
3-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;trihydrochloride
CID 119901475
4-N,4-N-dimethyl-1-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 87003345
3-chloro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-2-carboxamide
CID 122134483
(3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 97311922
4-(4-methylbenzoyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 55913038
(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 119901488
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119901458
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 78889575
1-(3,5-dichlorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 55912514

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (CID 55742798) is N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is CN1CCN(c2cc(CNC(=O)C3CCN(C(=O)N4CCCC4)CC3)ccn2)CC1.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is RFNRYAHVYDTCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O2/c1-25-12-14-26(15-13-25)20-16-18(4-7-23-20)17-24-21(29)19-5-10-28(11-6-19)22(30)27-8-2-3-9-27/h4,7,16,19H,2-3,5-6,8-15,17H2,1H3,(H,24,29).
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55742798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).