4-(morpholine-4-carbonyl)-N-(piperidin-4-ylmethyl)piperazine-1-carboxamide

C16H29N5O3 — CID 167899614

IUPAC4-(morpholine-4-carbonyl)-N-(piperidin-4-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCC1CCNCC1)N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H29N5O3/c22-15(18-13-14-1-3-17-4-2-14)19-5-7-20(8-6-19)16(23)21-9-11-24-12-10-21/h14,17H,1-13H2,(H,18,22)
InChIKeyIBXKJNHQYWJQHX-UHFFFAOYSA-N
MW339.44 g/mol
LogP-0.23
Rot. Bonds2

About 4-(morpholine-4-carbonyl)-N-(piperidin-4-ylmethyl)piperazine-1-carboxamide

4-(morpholine-4-carbonyl)-N-(piperidin-4-ylmethyl)piperazine-1-carboxamide (PubChem CID 167899614) has the molecular formula C16H29N5O3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-(morpholine-4-carbonyl)-N-(piperidin-4-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(morpholine-4-carbonyl)-N-(piperidin-4-ylmethyl)piperazine-1-carboxamide
PubChem CID167899614
Molecular FormulaC16H29N5O3
Molecular Weight339.44 g/mol
Exact Mass339.23
IUPAC Name4-(morpholine-4-carbonyl)-N-(piperidin-4-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCC1CCNCC1)N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H29N5O3/c22-15(18-13-14-1-3-17-4-2-14)19-5-7-20(8-6-19)16(23)21-9-11-24-12-10-21/h14,17H,1-13H2,(H,18,22)
InChIKeyIBXKJNHQYWJQHX-UHFFFAOYSA-N
XLogP-0.23
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(oxan-4-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 108913044
N-(cyclopropylmethyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 55793748
N-piperidin-4-ylmorpholine-4-carboxamide;hydrochloride
CID 53255683
2-[4-(oxan-4-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid
CID 63707581
2-(2-chlorophenyl)-N-(piperidin-4-ylmethyl)morpholine-4-carboxamide
CID 166237814
N-(piperidin-3-ylmethyl)azepane-1-carboxamide
CID 79152631
ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide
CID 144702610
N-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108912953
N-[(4-methylpiperidin-4-yl)methyl]morpholine-4-carboxamide
CID 113400569
N-(3-morpholin-4-yl-3-oxopropyl)-3-pyrrolidin-3-ylpropanamide
CID 115774812
ethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide
CID 144702617
2-(oxan-4-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 115271886

Frequently Asked Questions

What is the IUPAC name of 4-(morpholine-4-carbonyl)-N-(piperidin-4-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(morpholine-4-carbonyl)-N-(piperidin-4-ylmethyl)piperazine-1-carboxamide (CID 167899614) is 4-(morpholine-4-carbonyl)-N-(piperidin-4-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(morpholine-4-carbonyl)-N-(piperidin-4-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(morpholine-4-carbonyl)-N-(piperidin-4-ylmethyl)piperazine-1-carboxamide is O=C(NCC1CCNCC1)N1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of 4-(morpholine-4-carbonyl)-N-(piperidin-4-ylmethyl)piperazine-1-carboxamide?
The InChIKey is IBXKJNHQYWJQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O3/c22-15(18-13-14-1-3-17-4-2-14)19-5-7-20(8-6-19)16(23)21-9-11-24-12-10-21/h14,17H,1-13H2,(H,18,22).
What are the key properties of 4-(morpholine-4-carbonyl)-N-(piperidin-4-ylmethyl)piperazine-1-carboxamide?
4-(morpholine-4-carbonyl)-N-(piperidin-4-ylmethyl)piperazine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholine-4-carbonyl)-N-(piperidin-4-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 167899614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).