1,1-dimethyl-3-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]urea

C19H30N4O — CID 129279664

IUPAC1,1-dimethyl-3-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]urea
SMILESCN(C)C(=O)NCCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C19H30N4O/c1-22(2)19(24)20-10-13-23-11-8-16(9-12-23)21-18-14-17(18)15-6-4-3-5-7-15/h3-7,16-18,21H,8-14H2,1-2H3,(H,20,24)/t17-,18+/m0/s1
InChIKeyZHDSXRLIXICBFX-ZWKOTPCHSA-N
MW330.48 g/mol
LogP1.87
Rot. Bonds6

About 1,1-dimethyl-3-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]urea

1,1-dimethyl-3-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]urea (PubChem CID 129279664) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]urea
PubChem CID129279664
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name1,1-dimethyl-3-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]urea
SMILESCN(C)C(=O)NCCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C19H30N4O/c1-22(2)19(24)20-10-13-23-11-8-16(9-12-23)21-18-14-17(18)15-6-4-3-5-7-15/h3-7,16-18,21H,8-14H2,1-2H3,(H,20,24)/t17-,18+/m0/s1
InChIKeyZHDSXRLIXICBFX-ZWKOTPCHSA-N
XLogP1.87
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]urea (CID 129279664) is 1,1-dimethyl-3-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]urea is CN(C)C(=O)NCCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of 1,1-dimethyl-3-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]urea?
The InChIKey is ZHDSXRLIXICBFX-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H30N4O/c1-22(2)19(24)20-10-13-23-11-8-16(9-12-23)21-18-14-17(18)15-6-4-3-5-7-15/h3-7,16-18,21H,8-14H2,1-2H3,(H,20,24)/t17-,18+/m0/s1.
What are the key properties of 1,1-dimethyl-3-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]urea?
1,1-dimethyl-3-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]urea has a molecular weight of 330.48 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]urea is sourced from PubChem (CID 129279664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).