tert-butyl N-methyl-N-[1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidin-4-yl]carbamate

C21H34N4O2 — CID 66805506

IUPACtert-butyl N-methyl-N-[1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidin-4-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(Cc2ccnc(N3CCCC3)c2)CC1
InChIInChI=1S/C21H34N4O2/c1-21(2,3)27-20(26)23(4)18-8-13-24(14-9-18)16-17-7-10-22-19(15-17)25-11-5-6-12-25/h7,10,15,18H,5-6,8-9,11-14,16H2,1-4H3
InChIKeyIHNPVAMINVXOGI-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.51
Rot. Bonds4

About tert-butyl N-methyl-N-[1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidin-4-yl]carbamate

tert-butyl N-methyl-N-[1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidin-4-yl]carbamate (PubChem CID 66805506) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidin-4-yl]carbamate
PubChem CID66805506
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Nametert-butyl N-methyl-N-[1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidin-4-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(Cc2ccnc(N3CCCC3)c2)CC1
InChIInChI=1S/C21H34N4O2/c1-21(2,3)27-20(26)23(4)18-8-13-24(14-9-18)16-17-7-10-22-19(15-17)25-11-5-6-12-25/h7,10,15,18H,5-6,8-9,11-14,16H2,1-4H3
InChIKeyIHNPVAMINVXOGI-UHFFFAOYSA-N
XLogP3.51
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate
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tert-butyl N-[(3S)-1-(isoquinolin-6-ylmethyl)pyrrolidin-3-yl]-N-methylcarbamate
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tert-butyl N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]carbamate
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tert-butyl N-[1-(6-chloro-2-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
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tert-butyl N-[(3R)-1-[(2-chloropyrimidin-4-yl)methyl]piperidin-3-yl]-N-methylcarbamate
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ethyl 6-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]pyridine-3-carboxylate
CID 86777154
tert-butyl N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamate
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tert-butyl N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)carbamate
CID 172826509
tert-butyl N-methyl-N-[1-[(2-methyl-1,2λ4-dithia-3-azacyclopenta-2,4-dien-5-yl)methyl]piperidin-4-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidin-4-yl]carbamate (CID 66805506) is tert-butyl N-methyl-N-[1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidin-4-yl]carbamate is CN(C(=O)OC(C)(C)C)C1CCN(Cc2ccnc(N3CCCC3)c2)CC1.
What is the InChIKey of tert-butyl N-methyl-N-[1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidin-4-yl]carbamate?
The InChIKey is IHNPVAMINVXOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-21(2,3)27-20(26)23(4)18-8-13-24(14-9-18)16-17-7-10-22-19(15-17)25-11-5-6-12-25/h7,10,15,18H,5-6,8-9,11-14,16H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidin-4-yl]carbamate?
tert-butyl N-methyl-N-[1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidin-4-yl]carbamate has a molecular weight of 374.53 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 66805506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).